SCHEMBL16005151

SCHEMBL16005151

COC(=O)c1ccc(N(Cc2cc(Cl)cc(Cl)c2O)C(C)=O)cc1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.36
TSPO P30536 2/20 0.36
KDM4E B2RXH2 3/20 0.36
EGFR P00533 3/20 0.35
ERBB2 P04626 3/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ABL1 P00519 1/20 0.33
CYP3A4 P08684 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16005814 0.91 KDM4E (0.46) ACLYKDM4EEGFRERBB2NR1H2
SCHEMBL16005229 0.90 TSPO (0.35) ACLYTSPOKDM4EKMT2AALDH1A1
SCHEMBL16005607 0.88 KDM4E (0.42) TSPOKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16005130 0.79 MAPT (0.47) KDM4EKMT2AALDH1A1
SCHEMBL16005243 0.78 CA12 (0.48) KDM4EEGFRCYP3A4NR1H4KMT2A
SCHEMBL19664942 0.74 SCN9A (0.32)
SCHEMBL16005255 0.73 SCN9A (0.33)
SCHEMBL16005420 0.70 CA12 (0.49) ACLYKDM4EEGFRCYP3A4NR1H4
SCHEMBL16005003 0.68 EGFR (0.44) KDM4EEGFRCYP3A4KMT2AALDH1A1
SCHEMBL7952926 0.66 KDM4E (0.70) KDM4ECYP3A4KMT2AALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US claimed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 EP claimed
EP-2774914-B1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF UNIV NANJING MEDICAL (CN) 2017-12-06 EP disclosed
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 US disclosed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US disclosed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 ACLY 340/4885TSPO 550/4885KDM4E 2946/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.